物理化学学报 >> 1998, Vol. 14 >> Issue (09): 778-783.doi: 10.3866/PKU.WHXB19980903

研究论文 上一篇    下一篇

磺基水杨酸盐的晶体结构和倍频效应

李悦青, 邓立志, 周晓海, 张绍辉, 杨清传   

  1. 武汉大学化学系，武汉 430072|北京大学物理化学研究所，北京 100871
  • 收稿日期:1997-11-24 修回日期:1998-01-19 发布日期:1998-09-15
  • 通讯作者: 张绍辉

The Crystal Structure and the Second Harmonic Generation Efficiency of the Sulfosalicylate

Li Yue-Qing, Deng Li-Zhi, Zhou Xiao-Hai, Zhang Shao-Hui, Yang Qing-Chuan   

  1. Chemistry Department of Wuhan University,Wuhan 430072|Physical Chemistry Research Institute of Peking University,Beijing 100871
  • Received:1997-11-24 Revised:1998-01-19 Published:1998-09-15
  • Contact: Zhang Shao-Hui

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摘要：

用X射线单晶衍射法测定了三水合二（5－磺基水杨酸）钙（C（14）H1（10）O（12）S2Ca•3H2O，1）和二水合（5－磺基水杨酸）二钾（C7H4O6SK2•2H2O，2）的晶体结构. 化合物1属单斜晶系，空间群为Pn，晶胞参数a＝5.604（1）Å，B＝18.560（4）Å，c＝10.006（2）Å，β＝102.19（3）°，Z＝2，最终R＝0．0244．化合物2属正交晶系，空间群Pbca，晶胞参数a＝25.841（5）Å，b＝12.186（2）Å，c＝7.739（2）Å，Z＝8，最终R＝0.0308．化合物1粉末倍频效应为2.86倍KH2PO4，其厘米级单晶体的紫外端吸收边经在375nm附近.

关键词: 磺基水杨酸盐, 晶体结构, 有机倍频晶体

Abstract:

By means of the X-ray single crystal diffraction method, the crystal structures of calcium 5-suifosalicylate trihydrate (C14H10O12S2Ca•3H2O, 1) and potassium 5-sulfosalicylate dihydrate (C7H4O6SK2•2H2O, 2) were determined. Compound 1 belongs to monoclinic system, space group is Pn, unit cell parameter a=5. 604(1) Å, b=18.560(4) Å, c=10.006(2) Å, β=102.19(3) ° ,V=1017.2(3) Å3, Z=2, dc=1.725g•cm-3, in the end R=0.0244. Compound 2 belongs to orthorhombic system, space group is Pbca, unit cell parameter a=25.841(5) Å, b=12.186(2) Å, c=7.739(2) Å.V=2437.0(9) Å 2; Z=8, dc=1.801g.cm-3, in the end R=0.0308. The powder second harmonic generation(SHG) efficiency of compound 1 is as 2.86 times as that of KH2PO4. The ultraviolet absorption edge of its centimeter sizes single crystal is about 375nm.

Key words: Sulfosalicylate, Crystal structure, Organic second harmonic generation crystal